%chk=000071329.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071329

0 1
 S   0.7787000      -2.947500     -0.6362000    
 S    5.351600      0.3437000      0.5875000    
 O   -1.008000       1.730600     -0.3653000    
 O    1.615800      -4.073100      -1.007500    
 O   0.5537000      -1.858300      -1.565800    
 O    6.766100      0.6531000      0.6826000    
 O    4.590800      2.2000000E-03   1.773000    
 N   -3.829300       1.974300     -0.3593000    
 N  -0.7133000      -3.555900     -2.7799999E-02
 N    4.577900       1.600800     -0.2998000    
 C   -4.498400       1.580400      0.8800000    
 C   -5.007100      0.1408000      0.7941000    
 C   -2.944100       3.114100     -0.1222000    
 C   -3.876800     -0.8335000      0.5774000    
 C   -1.638400       2.657600      0.5089000    
 C   -4.813800       2.297800      -1.391200    
 C   -3.225700      -1.400900       1.672800    
 C   -3.481500      -1.166600     -0.7181000    
 C   -1.784200      -2.634300      0.1771000    
 C   -2.179400      -2.301300       1.472700    
 C   -2.435200      -2.066900     -0.9184000    
 C   0.3620000       1.699800     -0.3495000    
 C    3.150700       1.634500     -0.3169000    
 C    1.065000       1.351300      -1.502800    
 C    1.053400       2.015700      0.8201000    
 C    2.459300       1.318600      -1.486500    
 C    2.447700       1.982900      0.8364000    
 C    1.468400      -2.260500      0.8527000    
 C    5.193900     -0.9995000     -0.5680000    
 H   -3.820600       1.634200       1.739800    
 H   -5.331700       2.255700       1.115200    
 H   -5.524100     -0.1102000       1.729700    
 H   -5.764300      1.7100001E-02  1.1200000E-02
 H   -3.426600       3.886000      0.4902000    
 H   -2.686500       3.580000      -1.082900    
 H   -1.026100       3.559100      0.6450000    
 H   -1.787700       2.191900       1.488300    
 H   -5.459600       1.445700      -1.623700    
 H   -5.449700       3.144000      -1.105800    
 H   -4.310600       2.553900      -2.330900    
 H   -3.522400      -1.147100       2.687000    
 H   -3.985300     -0.7425000      -1.582200    
 H   -1.677800      -2.735500       2.333700    
 H   -2.148100      -2.326800      -1.933900    
 H  -0.6258000      -4.264700      0.7129000    
 H   0.5313000       1.104800      -2.416500    
 H   0.5448000       2.266600       1.746100    
 H    2.996400       1.043800      -2.390500    
 H    2.972400       2.237800       1.753500    
 H    5.011000       1.825300      -1.205800    
 H    2.471900      -1.899700      0.6280000    
 H   0.8470000      -1.428800       1.188000    
 H    1.522600      -3.042300       1.612600    
 H    5.715000     -0.7346000      -1.490300    
 H    4.140100      -1.196400     -0.7621000    
 H    5.658100      -1.882300     -0.1227000    


%chk=000071329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071329

0 1
S 1.420428 -2.890330 0.137582
S 5.134142 -0.243969 0.269477
O -1.057974 2.529798 -0.697784
O 2.341447 -4.196789 0.438304
O 1.780913 -1.918522 -1.117779
O 6.713583 -0.036491 0.578438
O 4.077014 -0.468086 1.499665
N -4.037570 2.189616 -0.219255
N -0.350113 -3.588413 -0.200021
N 4.489256 1.501738 -0.673465
C -4.537157 1.433303 0.954869
C -4.873508 -0.052664 0.650284
C -3.185476 3.345292 0.137501
C -3.668319 -0.960409 0.447323
C -1.754843 2.963822 0.527500
C -5.105879 2.540251 -1.176454
C -3.547787 -2.165760 1.187125
C -2.646935 -0.644747 -0.493728
C -1.440070 -2.709686 0.056033
C -2.439246 -3.021612 1.019700
C -1.556106 -1.509044 -0.700695
C 0.304892 2.231959 -0.608222
C 3.087334 1.663718 -0.678647
C 0.916369 1.827435 -1.825882
C 1.075697 2.319141 0.583497
C 2.280996 1.518696 -1.852592
C 2.455229 2.048304 0.540457
C 1.320475 -1.783196 1.697050
C 4.964240 -1.762400 -0.904057
H -3.765839 1.460017 1.746715
H -5.451406 1.922230 1.380278
H -5.482513 -0.439489 1.490192
H -5.528916 -0.091566 -0.242931
H -3.619072 3.948054 0.976662
H -3.123809 4.016848 -0.737817
H -1.238085 3.849686 0.951571
H -1.733953 2.145121 1.274293
H -5.640567 1.630237 -1.499551
H -5.864380 3.246445 -0.754132
H -4.662398 3.001874 -2.075585
H -4.323872 -2.432452 1.915200
H -2.721630 0.293982 -1.052623
H -2.355419 -3.937903 1.618336
H -0.788704 -1.276252 -1.446578
H -0.366132 -4.480921 0.325882
H 0.296083 1.752233 -2.723913
H 0.620185 2.618539 1.531723
H 2.741326 1.178142 -2.788381
H 3.071775 2.144981 1.438257
H 4.878684 1.372375 -1.630894
H 2.314895 -1.300978 1.746486
H 0.510202 -1.064739 1.510786
H 1.114730 -2.461107 2.536995
H 5.694707 -1.601576 -1.709430
H 3.914178 -1.782795 -1.238858
H 5.212400 -2.637040 -0.285012


